Cassane diterpenoids (CA) are considered as the main active constituents of medicinal plants belonging to the Caesalpinia genus. Three cassane derivatives, bonducellpin G (BG), 7-O-acetyl-bonducellpin C (7-O-AC) and caesalmin E (CE), isolated from Caesalpinia minax Hance seeds, showed strong anti-inflammatory activity. In this paper, pharmacokinetics (BG, 7-O-AC, CE) and tissue distribution (7-O-AC, CE) properties were studied for the first time using a reliable, sensitive and rapid UHPLC-Q-Orbitrap HR-MS to develop new anti-inflammatory agents. A novel quantitative method with full scan in positive ion mode was used to determine the contents of compounds. They were separated using acetonitrile-water (0.1% formic acid) as gradient mobile phase. The calibration curve displayed good linearity and the lower limit of quantitation was 0.005-0.02 μg/mL for all analytes. Meanwhile, the absorption, distribution, metabolism, excretion (ADME) property was predicted using PreADMET web. The pharmacokinetic parameters indicated that they were absorbed quickly, eliminated rapidly together with high blood concentration. The results of tissue distribution demonstrated that CE was distributed rapidly and widely among tissues, and stomach was the main tissue site of CE and 7-O-AC, followed by small intestine/liver. This study indicates that the structures and dosages of active CA should be modified to help improve the absorption rate and residence time, and the findings are helpful for the pharmaceutical design of CA derivatives.

中文翻译：

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通过超高效液相色谱-Q精确混合四极杆-Orbitrap高分辨率精确质谱法在大鼠中研究木薯二萜的药代动力学和组织分布。

二十烷二萜类化合物（CA）被认为是属于Caesalpinia属的药用植物的主要活性成分。从Ca藜种子中分离出的三种木薯衍生物，金葡菌素G（BG），7-O-乙酰基-bonducellpin C（7-O-AC）和凯撒敏E（CE），具有很强的抗炎活性。本文首次使用可靠，灵敏且快速的UHPLC-Q-Orbitrap HR-MS研究了药代动力学（BG，7-O-AC，CE）和组织分布（7-O-AC，CE）特性开发新的抗炎药。采用正离子模式全扫描的新型定量方法测定化合物的含量。使用乙腈-水（0.1％甲酸）作为梯度流动相分离它们。校准曲线显示出良好的线性，定量下限为0.005-0。所有分析物均为02μg/ mL。同时，利用PreADMET网络预测了吸收，分布，代谢，排泄（ADME）特性。药代动力学参数表明，它们被吸收快，血液浓度高时迅速消除。组织分布的结果表明，CE在组织中迅速而广泛地分布，并且胃是CE和7-O-AC的主要组织部位，其次是小肠/肝脏。这项研究表明，应修改活性CA的结构和剂量，以帮助提高吸收率和停留时间，这一发现对CA衍生物的药物设计有帮助。药代动力学参数表明，它们被吸收快，血液浓度高时迅速消除。组织分布的结果表明，CE在组织中迅速而广泛地分布，并且胃是CE和7-O-AC的主要组织部位，其次是小肠/肝脏。这项研究表明，应修改活性CA的结构和剂量，以帮助提高吸收率和停留时间，这一发现对CA衍生物的药物设计有帮助。药代动力学参数表明，它们被吸收快，血液浓度高时迅速消除。组织分布的结果表明，CE在组织中迅速而广泛地分布，并且胃是CE和7-O-AC的主要组织部位，其次是小肠/肝脏。这项研究表明，应修改活性CA的结构和剂量，以帮助提高吸收率和停留时间，这一发现对CA衍生物的药物设计有帮助。